Vitas-M small molecule compound
(3Z)-3-(4-methoxybenzylidene)-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-2,3-dihydro-1H-indole
Catalog ID
STK774005
SMILES COc1ccc(cc1)/C=C/1\CN(c2c1c(cc(c2)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)c1ccc(cc1)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H19N3O7S MW 481.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O7S/c1-15-3-9-20(10-4-15)34(31,32)24-14-17(11-16-5-7-19(33-2)8-6-16)23-21(24)12-18(25(27)28)13-22(23)26(29)30/h3-13H,14H2,1-2H3/b17-11+InChIKey
ZZEHJDWJFBMJAH-GZTJUZNOSA-NSynonyms
(3Z)3((4METHOXYPHENYL)METHYLIDENE)1(4METHYLPHENYL)SULFONYL46DINITRO2HINDOLE
(3Z)3(4methoxybenzylidene)1((4methylphenyl)sulfonyl)46dinitro23dihydro1Hindole
CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CC3=CC=C(C=C3)OC)C4=C(C=C(C=C42)(N+)(=O)(O))(N+)(=O)(O)
COc1ccc(cc1)C=C1CN(c2c1c(cc(c2)(N+)(=O)(O))(N+)(=O)(O))S(=O)(=O)c1ccc(cc1)C
InChI=1SC23H19N3O7Sc1153920(10415)34(3132)241417(11165719(332)8616)2321(24)1218(25(27)28)1322(23)26(29)30h313H14H212H3b1711+
MFCD03855959
ZINC000012461804
ZINC12461804
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